2-BENZYL-2,5-DIAZA-BICYCLO[2,2,1]헵탄

2-Benzyl-2,5-diazabicyclo[2.2.1]heptane

HCID 562932CAS 114086-14-5

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: c1ccc(CN2CC3CC2CN3)cc1
InChIKey: JPRFUVVWNBBEDI-UHFFFAOYSA-N
분자식: C12H16N2
평균 분자량: 188.27 g/mol
단동위원소 질량: 188.13134852

이름 및 식별자

우선 이름: 2-Benzyl-2,5-diazabicyclo[2.2.1]heptane
IUPAC: 2-benzyl-2,5-diazabicyclo[2.2.1]heptane
현지명: 2-BENZYL-2,5-DIAZA-BICYCLO[2,2,1]헵탄
영어명: 2-Benzyl-2,5-diaza-bicyclo[2,2,1]heptane
분자식: C12H16N2
분자량: 188.27

이름 및 동의어

2-Benzyl-2,5-diazabicyclo[2.2.1]heptane114086-14-52-Benzyl-2,5-diaza-bicyclo[2,2,1]heptane1217977-97-3(1S,4S)-N-Benzyl-2,5-diazabicyclo[2.2.1]heptaneSCHEMBL643358SCHEMBL5730240DTXSID60340252AKOS023412277SB12013SB12015SB32616

이름 더 보기

2-BENZYL-2,5-DIAZA-BICYCLO[2,2,1]헵탄2-BENZYL-2,5-DIAZABICYCLO[2,2,1]HEPTANE,98%(1R)-2-benzyl-2,5-diazabicyclo [2.2.1]heptane2-(phenylmethyl)-2,5-diazabicyclo[2.2.1]heptane2,5-Diazabicyclo[2.2.1]heptane, 2-(phenylmethyl)-2,5-Diazabicyclo[2.2.1]heptane,2-(phenylmethyl)-(9CI)

(1R,4R)-2-Benzyl-2,5-diazabicyclo-[2.2.1]heptane dihydrochloride2-benzyl-2.5-diazabicyclo(2.2.1)heptaneDB-0411972-benzyl-2,5-diazabicyclo [2.2.1]heptaneCS-00476562-Benzyl-2,5-diazabicyclo[2.2.1]heptane #D72908EN300-118264

데이터베이스 식별자

CAS: 114086-14-5
PubChem CID: 562932
DTXSID: DTXSID60340252
EC Number: 674-131-2
Nikkaji: J1.856.730J

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 15.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 14
형식 전하: 0
복잡도: 198

물리화학적 성질

끓는 점: 291 · 291.0±20.0 °C(Predicted)
밀도: 1.103 · 1.103±0.06 g/cm3(Predicted)
산도 계수 (pKa): 10.02 · 10.02±0.20(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.